ChemSpider 2D Image | N-[(3R,4S,7S,10Z)-7-[(2S)-2-Butanyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nalpha,Nalpha-dimethyl-L-tryptophanamide | C33H43N5O4

N-[(3R,4S,7S,10Z)-7-[(2S)-2-Butanyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nα,Nα-dimethyl-L-tryptophanamide

  • Molecular FormulaC33H43N5O4
  • Average mass573.726 Da
  • Monoisotopic mass573.331482 Da
  • ChemSpider ID4476750

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Indole-3-propanamide, α-(dimethylamino)-N-[(3R,4S,7S,10Z)-3-(1-methylethyl)-7-[(1S)-1-methylpropyl]-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, (αS)- [ACD/Index Name]
N-[(3R,4S,7S,10Z)-7-[(2S)-2-Butanyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nα,Nα-dimethyl-L-tryptophanamid [German] [ACD/IUPAC Name]
N-[(3R,4S,7S,10Z)-7-[(2S)-2-Butanyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nα,Nα-dimethyl-L-tryptophanamide [ACD/IUPAC Name]
N-[(3R,4S,7S,10Z)-7-[(2S)-2-Butanyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadéca-1(14),10,12,15-tétraén-4-yl]-Nα,Nα-diméthyl-L-tryptophaneamide [French] [ACD/IUPAC Name]
Amphibine A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 869.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 479.7±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 165.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 18.42
ACD/KOC (pH 5.5): 82.84
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 683.60
ACD/KOC (pH 7.4): 3074.21
Polar Surface Area: 116 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 474.3±5.0 cm3

Click to predict properties on the Chemicalize site


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